N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide

C13H15ClN2O2S2 — CID 166328784

IUPACN-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)9-5-4-6-11(15-9)16-20(17,18)12-8-7-10(14)19-12/h4-8H,1-3H3,(H,15,16)
InChIKeyKQRRTAUMUFMQNP-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.89
Rot. Bonds3

About N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide

N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 166328784) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
PubChem CID166328784
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESCC(C)(C)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)9-5-4-6-11(15-9)16-20(17,18)12-8-7-10(14)19-12/h4-8H,1-3H3,(H,15,16)
InChIKeyKQRRTAUMUFMQNP-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
5-chloro-N-pyrazin-2-ylthiophene-2-sulfonamide
CID 22772898
5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 136512208
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide
CID 10193429
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide (CID 166328784) is N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide is CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is KQRRTAUMUFMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-13(2,3)9-5-4-6-11(15-9)16-20(17,18)12-8-7-10(14)19-12/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide?
N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 166328784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).